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Re: [lammps-users] Simulate an Einstein solid
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Re: [lammps-users] Simulate an Einstein solid


From: pmoreira@...527...
Date: Fri, 15 Dec 2017 09:21:30 -0200

 Stefan.

 That is the answer which I was looking for.

 Thanks,

 Pedro

Citando Stefan Paquay <stefanpaquay@...24...>:

This is what pair_style zero was made for.

On Thu, Dec 14, 2017 at 6:05 PM, <pmoreira@...527...> wrote:


 Dear all.

 I am trying to simulate an (classical) Einstein solid using fix
spring/self. I can simulate a solid (e.g., Fe with EAM potential) and add
the fix spring/self. However, if I want only the fix spring/self, the
following error is happening:

ERROR: Atom sorting has bin size = 0.0 (../atom.cpp:1859)
Last command: run

I suppose the LAMMPS integrator (NVE) needs a pair style. If so, it will
not possible to run only with the fix spring/self, will it?

Can this problem be circumvented?

With best regards,

Pedro Moreira
Associate Professor, UFSCar, Brazil


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